3,5-diamino-N-(1-cyclopropylethyl)benzamide

C12H17N3O — CID 61094229

IUPAC3,5-diamino-N-(1-cyclopropylethyl)benzamide
SMILESCC(NC(=O)c1cc(N)cc(N)c1)C1CC1
InChIInChI=1S/C12H17N3O/c1-7(8-2-3-8)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,2-3,13-14H2,1H3,(H,15,16)
InChIKeyHZGWJSJMPFXVJM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.38
Rot. Bonds3

About 3,5-diamino-N-(1-cyclopropylethyl)benzamide

3,5-diamino-N-(1-cyclopropylethyl)benzamide (PubChem CID 61094229) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3,5-diamino-N-(1-cyclopropylethyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(1-cyclopropylethyl)benzamide
PubChem CID61094229
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3,5-diamino-N-(1-cyclopropylethyl)benzamide
SMILESCC(NC(=O)c1cc(N)cc(N)c1)C1CC1
InChIInChI=1S/C12H17N3O/c1-7(8-2-3-8)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,2-3,13-14H2,1H3,(H,15,16)
InChIKeyHZGWJSJMPFXVJM-UHFFFAOYSA-N
XLogP1.38
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
4-amino-N-(1-cyclopropylethyl)thiophene-2-carboxamide
CID 130815872
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
N-(1-cyclopropylethyl)-3,5-dinitrobenzamide
CID 47113794
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
3-amino-N-(1-cyclopropylethyl)-4-(dimethylamino)benzamide
CID 61094426
2-amino-6-chloro-N-(1-cyclohexylethyl)pyridine-4-carboxamide
CID 62407259
N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide
CID 131176905

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(1-cyclopropylethyl)benzamide?
The IUPAC name of 3,5-diamino-N-(1-cyclopropylethyl)benzamide (CID 61094229) is 3,5-diamino-N-(1-cyclopropylethyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(1-cyclopropylethyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(1-cyclopropylethyl)benzamide is CC(NC(=O)c1cc(N)cc(N)c1)C1CC1.
What is the InChIKey of 3,5-diamino-N-(1-cyclopropylethyl)benzamide?
The InChIKey is HZGWJSJMPFXVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(8-2-3-8)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,2-3,13-14H2,1H3,(H,15,16).
What are the key properties of 3,5-diamino-N-(1-cyclopropylethyl)benzamide?
3,5-diamino-N-(1-cyclopropylethyl)benzamide has a molecular weight of 219.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(1-cyclopropylethyl)benzamide is sourced from PubChem (CID 61094229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).